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[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]carbamic acid (HCID 178526074)|Huagongshe
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Compound
[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]carbamic acid
HCID
178526074
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Compound notes
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Basic information
Standard SMILES
O=C(O)NC1CCCCN(CC2CC2)C1=O
InChIKey
FFDCUKWDZZQBFI-UHFFFAOYSA-N
Molecular formula
C11H18N2O3
Average molar mass
226.27 g/mol
Monoisotopic mass
226.13174244
Names & identifiers
IUPAC
[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]carbamic acid
Database identifiers
PubChem CID
21101907
Properties
Computed structural properties
XLogP
0.8
Topological polar surface area
69.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
289
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Related reactions
1 records
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HRID
316840
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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